[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone

C22H15ClO3 — CID 21435284

IUPAC[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1c(Cc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C22H15ClO3/c23-16-9-5-14(6-10-16)13-20-21(18-3-1-2-4-19(18)26-20)22(25)15-7-11-17(24)12-8-15/h1-12,24H,13H2
InChIKeyWMKQXKIPZOEOGT-UHFFFAOYSA-N
MW362.81 g/mol
LogP5.61
Rot. Bonds4

About [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone

[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone (PubChem CID 21435284) has the molecular formula C22H15ClO3 and a molecular weight of 362.81 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
PubChem CID21435284
Molecular FormulaC22H15ClO3
Molecular Weight362.81 g/mol
Exact Mass362.07
IUPAC Name[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1c(Cc2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C22H15ClO3/c23-16-9-5-14(6-10-16)13-20-21(18-3-1-2-4-19(18)26-20)22(25)15-7-11-17(24)12-8-15/h1-12,24H,13H2
InChIKeyWMKQXKIPZOEOGT-UHFFFAOYSA-N
XLogP5.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.81
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-[2-(2,2,2-trifluoroethyl)-1-benzofuran-3-yl]methanone
CID 139050398
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
ethane;3-[3-(4-hydroxybenzoyl)-1-benzofuran-2-yl]-2,2-dimethylpropanoic acid
CID 142253801
1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727
4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
CID 132602656
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
2-benzyl-3-(4-chlorophenyl)-1-benzofuran
CID 154708435
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
CID 122379715
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
[2-(3-bromopropyl)-1-benzofuran-3-yl]-phenylmethanone
CID 11645865

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone (CID 21435284) is [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1c(Cc2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is WMKQXKIPZOEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO3/c23-16-9-5-14(6-10-16)13-20-21(18-3-1-2-4-19(18)26-20)22(25)15-7-11-17(24)12-8-15/h1-12,24H,13H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone?
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 362.81 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 21435284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).